(E)-N-ethyl-2-methyltetradec-9-en-2-amine

C17H35N — CID 19893885

IUPAC(E)-N-ethyl-2-methyltetradec-9-en-2-amine
SMILESCCCC/C=C/CCCCCCC(C)(C)NCC
InChIInChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)18-6-2/h9-10,18H,5-8,11-16H2,1-4H3/b10-9+
InChIKeyLZTYFCGWVNYZFD-MDZDMXLPSA-N
MW253.47 g/mol
LogP5.46
Rot. Bonds12

About (E)-N-ethyl-2-methyltetradec-9-en-2-amine

(E)-N-ethyl-2-methyltetradec-9-en-2-amine (PubChem CID 19893885) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is (E)-N-ethyl-2-methyltetradec-9-en-2-amine.

Molecular Properties

Compound Name(E)-N-ethyl-2-methyltetradec-9-en-2-amine
PubChem CID19893885
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name(E)-N-ethyl-2-methyltetradec-9-en-2-amine
SMILESCCCC/C=C/CCCCCCC(C)(C)NCC
InChIInChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)18-6-2/h9-10,18H,5-8,11-16H2,1-4H3/b10-9+
InChIKeyLZTYFCGWVNYZFD-MDZDMXLPSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Dioleylamine
CID 11214516
N-(Octadec-9-en-1-yl)octadec-9-en-1-amine
CID 162408
2,3-Iminosqualene
CID 6438481
4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
CID 5018062
Ethyl oleylamine
CID 87846620
(Z)-N-[(E)-octadec-9-enyl]octadec-9-en-1-amine
CID 6441041
(12E,15E)-N-[(21E,24E)-hexatriaconta-21,24-dienyl]hexatriaconta-12,15-dien-1-amine
CID 6450357
(E)-N-methyloctadec-9-en-1-amine
CID 19097637
N-hexadecyloctadec-9-en-1-amine
CID 53720660
N-9,12-Octadecadien-1-yl-9,12-octadecadien-1-amine
CID 54303074
(Z)-N-methyloctadec-9-en-1-amine
CID 59554700
Dilinoleamine
CID 71587479

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-2-methyltetradec-9-en-2-amine?
The IUPAC name of (E)-N-ethyl-2-methyltetradec-9-en-2-amine (CID 19893885) is (E)-N-ethyl-2-methyltetradec-9-en-2-amine.
What is the SMILES notation for (E)-N-ethyl-2-methyltetradec-9-en-2-amine?
The canonical SMILES for (E)-N-ethyl-2-methyltetradec-9-en-2-amine is CCCC/C=C/CCCCCCC(C)(C)NCC.
What is the InChIKey of (E)-N-ethyl-2-methyltetradec-9-en-2-amine?
The InChIKey is LZTYFCGWVNYZFD-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H35N/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)18-6-2/h9-10,18H,5-8,11-16H2,1-4H3/b10-9+.
What are the key properties of (E)-N-ethyl-2-methyltetradec-9-en-2-amine?
(E)-N-ethyl-2-methyltetradec-9-en-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.46, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-2-methyltetradec-9-en-2-amine is sourced from PubChem (CID 19893885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).